SCHEMBL30558451

SCHEMBL30558451

O=C1CCCc2cc(Sc3ccccc3F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.46
MAOA P21397 7/20 0.46
MAOB P27338 7/20 0.46
CYP2A6 P11509 1/20 0.46
GRM5 P41594 1/20 0.46
PRKCI P41743 1/20 0.45
HSD17B1 P14061 1/20 0.41
HTR2C P28335 1/20 0.40
HTR6 P50406 1/20 0.40
KDM4C Q9H3R0 2/20 0.40
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
MAPK14 Q16539 3/20 0.39
BAZ2B Q9UIF8 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17362073 1.00 PTGS2 (0.46) PTGS2MAOAMAOBCYP2A6GRM5
SCHEMBL17361526 0.83 PTGS2 (0.47) PTGS2MAOAMAOBCYP2A6GRM5
SCHEMBL30558326 0.83 PTGS2 (0.47) PTGS2MAOAMAOBCYP2A6GRM5
SCHEMBL315261 0.82 GRM5 (0.56) MAOAMAOBCYP2A6GRM5PRKCI
SCHEMBL642086 0.80 MAOA (0.54) MAOAMAOBCYP2A6GRM5PRKCI
SCHEMBL17362038 0.80 MAOA (0.53) PTGS2MAOAMAOBCYP2A6GRM5
SCHEMBL22681884 0.79 HTR2C (0.45) PTGS2HTR2CHTR6KDM4CPGR
SCHEMBL17361928 0.75 PGR (0.37) PTGS2HTR2CHTR6KDM4CPGR
SCHEMBL17361535 0.74 MAOA (0.47) MAOAMAOBCYP2A6GRM5PRKCI
Hydrochloric Acid SCHEMBL30558405 0.74 PGR (0.36) PTGS2HTR2CHTR6KDM4CPGR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111909083-B Inhibitors of histone demethylase 赛尔基因昆蒂赛尔研究公司 2023-08-15 CN disclosed